N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide

C12H9N5O4 — CID 136967128

IUPACN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccno1
InChIInChI=1S/C12H9N5O4/c18-11-7(2-1-4-13-11)10-16-9(21-17-10)6-14-12(19)8-3-5-15-20-8/h1-5H,6H2,(H,13,18)(H,14,19)
InChIKeyFRGSZFWSJJLBQI-UHFFFAOYSA-N
MW287.23 g/mol
LogP0.34
Rot. Bonds4

About N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 136967128) has the molecular formula C12H9N5O4 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID136967128
Molecular FormulaC12H9N5O4
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccno1
InChIInChI=1S/C12H9N5O4/c18-11-7(2-1-4-13-11)10-16-9(21-17-10)6-14-12(19)8-3-5-15-20-8/h1-5H,6H2,(H,13,18)(H,14,19)
InChIKeyFRGSZFWSJJLBQI-UHFFFAOYSA-N
XLogP0.34
TPSA126.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 136666477
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide
CID 137092972
5-methyl-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 137092974
3-chloro-4-fluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666497
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 136666454
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136666510
3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666505
7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 136666450
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 136962336
2-(6-oxopyridazin-1-yl)-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 136666488
ethyl 2-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate
CID 136962352
1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide
CID 136962328

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide (CID 136967128) is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccno1.
What is the InChIKey of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FRGSZFWSJJLBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O4/c18-11-7(2-1-4-13-11)10-16-9(21-17-10)6-14-12(19)8-3-5-15-20-8/h1-5H,6H2,(H,13,18)(H,14,19).
What are the key properties of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 287.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 136967128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).